SCHEMBL13720701

SCHEMBL13720701

COC(=O)c1ccc(C(=O)N/N=C(\C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.51
AGTR1 P30556 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS1 P23219 1/20 0.38
EGFR P00533 1/20 0.38
GRIN2C Q14957 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1482921 1.00 ESRRG (0.51) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL1482922 1.00 ESRRG (0.51) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL5736970 0.97 ESRRG (0.48) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL1483038 0.91 MTOR (0.43) ESRRGAGTR1ALDH1A1MAPTGAA
SCHEMBL1483036 0.91 MTOR (0.43) ESRRGAGTR1ALDH1A1MAPTGAA
SCHEMBL12829607 0.91 MTOR (0.43) ESRRGAGTR1ALDH1A1MAPTGAA
SCHEMBL13720700 0.89 ESRRG (0.53) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL1483442 0.89 ESRRG (0.53) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL1483440 0.89 ESRRG (0.53) ESRRGAGTR1CA1CA2ALDH1A1
SCHEMBL1484328 0.89 ESRRG (0.44) ESRRGAGTR1ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 123/4885AGTR1 441/4885CA1 2676/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885AGTR1 443/4885CA1 2643/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.